The SPPARKS distribution includes an examples sub-directory with several sample problems. Each problem is in a sub-directory of its own. Each problem has an input script (in.*) and produces a log file (log.*). Some examples produce a Stitch file and/or a dump file (dump.*).
See Additional Tools for visualization of outputs.
These are the sample problems in the examples sub-directories:
| am_ellipsoid | 3d Potts model for additive manufacturing |
| am_path | additive manufacturing applications with use of a path |
| chemistry | simple A + B <-> C reaction model |
| erbium | erbium reaction/diffusion model |
| groups | test of tree and group KMC solvers on a reaction network |
| ising | 2d Ising model |
| thin_film_growth | 2d thin file growth with diffusion app |
| membrane | 2d membrane model of lipid, fluid, protein states |
| multiphase | multiphase diffusion |
| phasefield_potts | 3d Potts with phase field model |
| potts | 3d Potts model |
| potts_grad | 3d Potts model with temperature gradient |
| potts_quaternion | 3d Potts model incorporating crystalline orientations |
| potts_weld | 3d Potts model for welding applications |
| potts_weld_jom | second 3d Potts model for welding applications |
| relax | 2d Metropolis atomic relaxation |
| sintering | sintering application |
| stitch | using the Stitch input/output options |
Here is how you might run and visualize one of the sample problems:
cd examples/potts_quaternion mpirun -np 8 ../../src/spk_mpi -in in.potts_cubic_2d # run the problem
Running the simulation produces the files potts_cubic_2d.st and log.spparks.
If you add dump image line(s) to the input script a series of JPG images will be produced by the run. For potts_quaternion in.potts_cubic_2d script the following line can be added for example
% dump top image 1 potts_init.top.*.jpg site site view 0.0 0.0 crange 1 100000 drange 1 1 zoom 2.0 size 1024 1024
These can be viewed individually or turned into a movie or animated by tools like ImageMagick or QuickTime or various image editing tools. See the dump image doc page for more details. The
Imagemagick command to create a GIF file suitable for viewing in a
browser would be (based on the above dump command):
% convert -loop 1 -delay 20 potts_init.top.*.jpg my_animation.gif
For the potts_quaternion simulations per grain crystalline orientations are available enabling direct comparison with experimental EBSD datasets. Moreover SPPARKS crystalline orientations
can be directly incorporated into existing EBSD post-processing and analysis packages like Orix/MTEX. Additional analysis tools for stitch files are available in the spparks/tools directory.
There is also a COUPLE directory with examples of how to use SPPARKS as a library, either by itself or in tandem with another code or library. See the COUPLE/README file to get started.